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盐酸吖啶黄CAS号 : 69235-50-3 Compound CID : 53393742分子式: C27H28Cl4N6 分子量: 578.4IUPAC Name: acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;trihydrochlorideSMILES: C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl.Cl.Cl.[Cl-]InChIKey: VWXAJKFSYJFBIW-UHFFFAOYSA-NInChI: InChI=1S/C14H13N3.C13H11N3.4ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;;;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;4*1H
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N-[3,5-双(三氟甲基)苯基]-N'-[(1S,2S)-2-(二甲基氨基)-1,2-二苯基乙基]硫脲CAS号 : 1233369-41-9 Compound CID : 54769661分子式: C25H23F6N3S 分子量: 511.5IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]thioureaSMILES: CN(C)C(C1=CC=CC=C1)C(C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)FInChIKey: KGAOVNMFMGIVJT-VXKWHMMOSA-NInChI: InChI=1S/C25H23F6N3S/c1-34(2)22(17-11-7-4-8-12-17)21(16-9-5-3-6-10-16)33-23(35)32-20-14-18(24(26,27)28)13-19(15-20)25(29,30)31/h3-15,21-22H,1-2H3,(H2,32,33,35)/t21-,22-/m0/s1
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龙胆紫-d6CAS号 : 1266676-01-0分子式: C25H24D6ClN3 分子量: 414.02IUPAC Name: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-bis(trideuteriomethyl)azanium;chlorideSMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]InChIKey: ZXJXZNDDNMQXFV-TXHXQZCNSA-MInChI: InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1/i1D3,2D3;
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6-甲氧基-N-乙基喹啉碘化物CAS号 : 34373-76-7 Compound CID : 2826948分子式: C12H14NO•I 分子量: 315.15IUPAC Name: 1-ethyl-6-methoxyquinolin-1-ium;iodideSMILES: CC[N+]1=CC=CC2=C1C=CC(=C2)OC.[I-]InChIKey: YATPLOKNKMKYFV-UHFFFAOYSA-MInChI: InChI=1S/C12H14NO.HI/c1-3-13-8-4-5-10-9-11(14-2)6-7-12(10)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1
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西咪替丁-d3（Cimetidine-d3）CAS号 : 1185237-29-9分子式: C10H13D3N6S 分子量: 255.34IUPAC Name: 1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(trideuteriomethyl)guanidineSMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#NInChIKey: AQIXAKUUQRKLND-BMSJAHLVSA-NInChI: InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)/i2D3
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醛固酮-d7CAS号 : 1261254-31-2分子式: C21D7H21O5 分子量: 367.49SMILES: [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CCC([2H])(C(=O)C(O)([*])[*])[C@]4(C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
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2-[3-(三氟甲基)苯氧基]烟酸CAS号 : 36701-89-0 Compound CID : 215891分子式: C13H8F3NO3 分子量: 283.21IUPAC Name: 2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acidSMILES: C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)O)C(F)(F)FInChIKey: OBRGOFGSXWAVNZ-UHFFFAOYSA-NInChI: InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)
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硫酸铵-d₈CAS号 : 13814-01-2分子式: (ND4)2SO4 分子量: 140.19IUPAC Name: tetradeuterioazanium;sulfateSMILES: [NH4+].[NH4+].[O-]S(=O)(=O)[O-]InChIKey: BFNBIHQBYMNNAN-KTOHAENGSA-NInChI: InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)/i/hD8
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1,4-环己二酮-d8CAS号 : 23034-25-5分子式: C6D8O2 分子量: 120.18IUPAC Name: 2,2,3,3,5,5,6,6-octadeuteriocyclohexane-1,4-dioneSMILES: C1CC(=O)CCC1=OInChIKey: DCZFGQYXRKMVFG-SVYQBANQSA-NInChI: InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2/i1D2,2D2,3D2,4D2
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9-溴蒽-d9CAS号 : 183486-02-4分子式: C14D9Br 分子量: 266.18IUPAC Name: 9-bromo-1,2,3,4,5,6,7,8,10-nonadeuterioanthraceneSMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=C3C(=C(C(=C(C3=C2Br)[2H])[2H])[2H])[2H])[2H])[2H])[2H]InChIKey: ZIRVQSRSPDUEOJ-LOIXRAQWSA-NInChI: InChI=1S/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
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